N-Benzyl-2-{7-[2-(~18~F)Fluoroethyl]-8-Oxo-2-Phenyl-7,8-Dihydro-9H-Purin-9-Yl}-N-Methylacetamide
Properties
| Property | Value |
|---|---|
| Formula | C23H22FN5O2 |
| IUPAC Name | n-benzyl-2-[7-(2-fluoroethyl)-8-oxo-2-phenyl-purine-1,3-diium-5-id-9-yl]-n-methyl-acetamide |
| Molecular Mass | 418.454 g·mol−1 |
| Heat of Formation | -110.2 ± 16.7 kJ·mol−1 |
| Dipole Moment | 4.76 ± 1.08 D |
| Volume | 496.03 Å 3 |
| Surface Area | 411.24 Å 2 |
| HOMO Energy | -9.04 ± 0.55 eV |
| LUMO Energy | 2.02 ± eV |
| Point Group Symmetry | C1 |
| InChIKey | QJZDLHWHIBNCJV-MIGPCILRSA-N |
| QR Code | Generate QR Code |
| Links | PubChem ChemSpider |
| DOI | |
| Downloads | Get JSON data Get MOL2 data Get SVG Image |
| Elements | H C N O F |